1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazole

C20H16N8OS — CID 140977850

IUPAC1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazole
SMILESc1c[nH]c(N2C(c3ncc[nH]3)=C(c3ccn[nH]3)N(c3ccco3)N2c2cccs2)c1
InChIInChI=1S/C20H16N8OS/c1-4-15(21-8-1)26-19(20-22-10-11-23-20)18(14-7-9-24-25-14)27(16-5-2-12-29-16)28(26)17-6-3-13-30-17/h1-13,21H,(H,22,23)(H,24,25)
InChIKeyMSGJTVKEIPVHGY-UHFFFAOYSA-N
MW416.47 g/mol
LogP4.30
Rot. Bonds5

About 1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazole

1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazole (PubChem CID 140977850) has the molecular formula C20H16N8OS and a molecular weight of 416.47 g/mol. Its IUPAC name is 1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazole.

Molecular Properties

Compound Name1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazole
PubChem CID140977850
Molecular FormulaC20H16N8OS
Molecular Weight416.47 g/mol
Exact Mass416.12
IUPAC Name1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazole
SMILESc1c[nH]c(N2C(c3ncc[nH]3)=C(c3ccn[nH]3)N(c3ccco3)N2c2cccs2)c1
InChIInChI=1S/C20H16N8OS/c1-4-15(21-8-1)26-19(20-22-10-11-23-20)18(14-7-9-24-25-14)27(16-5-2-12-29-16)28(26)17-6-3-13-30-17/h1-13,21H,(H,22,23)(H,24,25)
InChIKeyMSGJTVKEIPVHGY-UHFFFAOYSA-N
XLogP4.30
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazole with MolForge

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Related Compounds

furan;1H-imidazole;1H-pyrazole;1H-pyrrole;thiophene
CID 67067519
furan;1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene
CID 68629579
1-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylpyrazole
CID 140977165
1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-1,2-thiazole
CID 140996446
2-[1-(furan-2-yl)-2-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-3-(thiolan-2-yl)-5-thiophen-2-ylimidazol-2-yl]pyrimidine
CID 140999701
2-[1-(furan-2-yl)-6-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-pyridin-2-yl-2H-pyrimidin-4-yl]-1,3-thiazole
CID 141031533
1-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazole
CID 141038820
3-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,3-oxazole
CID 141048956
4-[1-(furan-2-yl)-4-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-1,1-bis(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazol-1-yl]oxadiazole
CID 141071378
2-[1-cyclohex-2-en-1-ylsulfanyl-3-(furan-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylimidazol-2-yl]pyrimidine
CID 141099672
1-(furan-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-4-thiophen-2-ylimidazole
CID 141214135
1-(furan-2-yl)-1-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-1-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-thiazole
CID 141220278

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazole?
The IUPAC name of 1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazole (CID 140977850) is 1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazole.
What is the SMILES notation for 1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazole?
The canonical SMILES for 1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazole is c1c[nH]c(N2C(c3ncc[nH]3)=C(c3ccn[nH]3)N(c3ccco3)N2c2cccs2)c1.
What is the InChIKey of 1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazole?
The InChIKey is MSGJTVKEIPVHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N8OS/c1-4-15(21-8-1)26-19(20-22-10-11-23-20)18(14-7-9-24-25-14)27(16-5-2-12-29-16)28(26)17-6-3-13-30-17/h1-13,21H,(H,22,23)(H,24,25).
What are the key properties of 1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazole?
1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazole has a molecular weight of 416.47 g/mol, XLogP of 4.30, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazole is sourced from PubChem (CID 140977850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).